9FI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | doub | 1.39Å | 1.36Å | Aromatic |
| C32 | C30 | sing | 1.37Å | 1.34Å | Aromatic |
| C33 | C31 | sing | 1.38Å | 1.34Å | Aromatic |
| N4 | C15 | sing | 1.47Å | 1.42Å | |
| C30 | C27 | doub | 1.39Å | 1.31Å | Aromatic |
| C15 | C3 | sing | 1.53Å | 1.51Å | |
| C31 | C29 | doub | 1.39Å | 1.36Å | Aromatic |
| C27 | C29 | sing | 1.41Å | 1.36Å | Aromatic |
| C27 | C26 | sing | 1.47Å | 1.38Å | Aromatic |
| C29 | N5 | sing | 1.38Å | 1.36Å | Aromatic |
| O2 | C22 | doub | 1.21Å | 1.20Å | |
| C3 | C4 | sing | 1.53Å | 1.46Å | |
| C3 | C8 | sing | 1.53Å | 1.44Å | |
| C4 | C2 | sing | 1.53Å | 1.44Å | |
| C11 | C5 | sing | 1.53Å | 1.53Å | |
| C11 | N1 | sing | 1.47Å | 1.57Å | |
| C5 | C1 | sing | 1.53Å | 1.54Å | |
| C26 | C24 | sing | 1.51Å | 1.40Å | |
| C26 | C28 | doub | 1.34Å | 1.34Å | Aromatic |
| C24 | C20 | sing | 1.53Å | 1.46Å | |
| C8 | C9 | sing | 1.53Å | 1.48Å | |
| C22 | C20 | sing | 1.51Å | 1.55Å | |
| C22 | N2 | sing | 1.35Å | 1.36Å | |
| N5 | C28 | sing | 1.37Å | 1.39Å | Aromatic |
| N3 | C20 | sing | 1.46Å | 1.33Å | |
| N3 | C19 | sing | 1.35Å | 1.39Å | |
| C13 | C2 | sing | 1.53Å | 1.47Å | |
| C13 | N2 | sing | 1.46Å | 1.41Å | |
| C2 | C7 | sing | 1.53Å | 1.48Å | |
| N1 | C19 | sing | 1.35Å | 1.49Å | |
| N1 | C12 | sing | 1.47Å | 1.35Å | |
| C18 | C23 | sing | 1.39Å | 1.36Å | Aromatic |
| C18 | C10 | doub | 1.37Å | 1.35Å | Aromatic |
| C1 | C10 | sing | 1.51Å | 1.47Å | |
| C1 | C14 | sing | 1.51Å | 1.45Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | doub | 1.38Å | 1.37Å | Aromatic |
| C10 | C16 | sing | 1.40Å | 1.38Å | Aromatic |
| C19 | O1 | doub | 1.22Å | 1.23Å | |
| C9 | C7 | sing | 1.53Å | 1.49Å | |
| C25 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C17 | doub | 1.32Å | 1.34Å | |
| C16 | C21 | doub | 1.40Å | 1.36Å | Aromatic |
| C16 | C17 | sing | 1.47Å | 1.45Å | |
| C12 | C6 | sing | 1.53Å | 1.53Å | |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C9 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H21 | sing | 1.09Å | 1.10Å | |
| C24 | H22 | sing | 1.09Å | 1.10Å | |
| C25 | H23 | sing | 1.08Å | 1.08Å | |
| C28 | H24 | sing | 1.08Å | 1.08Å | |
| C11 | H25 | sing | 1.09Å | 1.10Å | |
| C11 | H26 | sing | 1.09Å | 1.10Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| C12 | H28 | sing | 1.09Å | 1.10Å | |
| C2 | H29 | sing | 1.09Å | 1.10Å | |
| C21 | H30 | sing | 1.08Å | 1.08Å | |
| C30 | H31 | sing | 1.08Å | 1.08Å | |
| C31 | H32 | sing | 1.08Å | 1.08Å | |
| C32 | H33 | sing | 1.08Å | 1.08Å | |
| C33 | H34 | sing | 1.08Å | 1.08Å | |
| C7 | H35 | sing | 1.09Å | 1.10Å | |
| C7 | H36 | sing | 1.09Å | 1.10Å | |
| N2 | H37 | sing | 0.97Å | 1.00Å | |
| N3 | H38 | sing | 0.97Å | 1.00Å | |
| N4 | H39 | sing | 1.01Å | 1.00Å | |
| N4 | H40 | sing | 1.01Å | 1.00Å | |
| N5 | H42 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C30 | 119.2° | 120.5° |
| C32 | C33 | C31 | 120.7° | 120.6° |
| C33 | C32 | H33 | 120.4° | 119.7° |
| C32 | C33 | H34 | 119.6° | 119.6° |
| C32 | C30 | C27 | 120.3° | 119.8° |
| C32 | C30 | H31 | 119.8° | 120.1° |
| C30 | C32 | H33 | 120.4° | 119.8° |
| C33 | C31 | C29 | 119.6° | 119.8° |
| C33 | C31 | H32 | 120.2° | 120.1° |
| C31 | C33 | H34 | 119.7° | 119.7° |
| N4 | C15 | C3 | 115.1° | 109.5° |
| N4 | C15 | H15 | 108.1° | 109.4° |
| N4 | C15 | H16 | 108.0° | 109.5° |
| C15 | N4 | H39 | 109.5° | 111.0° |
| C15 | N4 | H40 | 109.5° | 111.0° |
| C30 | C27 | C29 | 121.9° | 120.0° |
| C30 | C27 | C26 | 129.0° | 134.0° |
| C27 | C30 | H31 | 119.9° | 120.1° |
| C15 | C3 | C4 | 108.6° | 109.5° |
| C15 | C3 | C8 | 109.2° | 109.5° |
| C15 | C3 | H1 | 110.0° | 109.4° |
| C3 | C15 | H15 | 108.0° | 109.5° |
| C3 | C15 | H16 | 108.1° | 109.5° |
| C31 | C29 | C27 | 118.4° | 119.3° |
| C31 | C29 | N5 | 132.9° | 133.5° |
| C29 | C31 | H32 | 120.2° | 120.1° |
| C29 | C27 | C26 | 109.1° | 106.0° |
| C27 | C29 | N5 | 108.8° | 107.2° |
| C27 | C26 | C24 | 123.3° | 126.5° |
| C27 | C26 | C28 | 105.7° | 107.0° |
| C29 | N5 | C28 | 105.4° | 109.8° |
| C29 | N5 | H42 | 127.3° | 125.1° |
| O2 | C22 | C20 | 119.6° | 120.0° |
| O2 | C22 | N2 | 115.3° | 120.0° |
| C4 | C3 | C8 | 107.3° | 109.5° |
| C3 | C4 | C2 | 118.3° | 109.4° |
| C4 | C3 | H1 | 110.7° | 109.5° |
| C3 | C4 | H2 | 107.2° | 109.5° |
| C3 | C4 | H3 | 107.2° | 109.4° |
| C3 | C8 | C9 | 110.6° | 109.5° |
| C8 | C3 | H1 | 111.0° | 109.4° |
| C3 | C8 | H8 | 109.2° | 109.5° |
| C3 | C8 | H9 | 109.2° | 109.4° |
| C4 | C2 | C13 | 107.3° | 109.4° |
| C4 | C2 | C7 | 104.4° | 109.5° |
| C2 | C4 | H2 | 107.2° | 109.5° |
| C2 | C4 | H3 | 107.3° | 109.5° |
| C4 | C2 | H29 | 111.6° | 109.5° |
| C5 | C11 | N1 | 121.3° | 108.8° |
| C11 | C5 | C1 | 112.4° | 109.4° |
| C11 | C5 | H4 | 108.7° | 109.5° |
| C11 | C5 | H5 | 108.7° | 109.5° |
| C5 | C11 | H25 | 106.4° | 109.6° |
| C5 | C11 | H26 | 106.4° | 109.6° |
| C11 | N1 | C19 | 134.4° | 120.7° |
| C11 | N1 | C12 | 114.6° | 118.7° |
| N1 | C11 | H25 | 106.4° | 109.6° |
| N1 | C11 | H26 | 106.4° | 109.6° |
| C5 | C1 | C10 | 112.3° | 110.2° |
| C5 | C1 | C14 | 112.6° | 110.2° |
| C5 | C1 | C6 | 110.7° | 110.4° |
| C1 | C5 | H4 | 108.7° | 109.5° |
| C1 | C5 | H5 | 108.7° | 109.5° |
| C24 | C26 | C28 | 130.9° | 126.5° |
| C26 | C24 | C20 | 106.1° | 109.4° |
| C26 | C24 | H21 | 110.3° | 109.5° |
| C26 | C24 | H22 | 110.3° | 109.5° |
| C26 | C28 | N5 | 110.9° | 109.9° |
| C26 | C28 | H24 | 124.5° | 125.1° |
| C24 | C20 | C22 | 106.3° | 109.4° |
| C24 | C20 | N3 | 113.6° | 109.5° |
| C24 | C20 | H19 | 115.3° | 109.5° |
| C20 | C24 | H21 | 110.3° | 109.5° |
| C20 | C24 | H22 | 110.3° | 109.4° |
| C8 | C9 | C7 | 109.5° | 109.5° |
| C9 | C8 | H8 | 109.2° | 109.5° |
| C9 | C8 | H9 | 109.2° | 109.5° |
| C8 | C9 | H10 | 109.5° | 109.5° |
| C8 | C9 | H11 | 109.5° | 109.5° |
| C20 | C22 | N2 | 124.8° | 120.0° |
| C22 | C20 | N3 | 86.2° | 109.5° |
| C22 | C20 | H19 | 113.6° | 109.4° |
| C22 | N2 | C13 | 126.3° | 120.0° |
| C22 | N2 | H37 | 116.8° | 119.9° |
| N5 | C28 | H24 | 124.5° | 125.0° |
| C28 | N5 | H42 | 127.3° | 125.1° |
| C20 | N3 | C19 | 124.1° | 120.0° |
| N3 | C20 | H19 | 117.8° | 109.5° |
| C20 | N3 | H38 | 118.0° | 120.0° |
| N3 | C19 | N1 | 128.0° | 120.0° |
| N3 | C19 | O1 | 112.1° | 120.0° |
| C19 | N3 | H38 | 118.0° | 120.0° |
| C2 | C13 | N2 | 116.6° | 109.5° |
| C13 | C2 | C7 | 111.1° | 109.4° |
| C2 | C13 | H12 | 107.7° | 109.5° |
| C2 | C13 | H13 | 107.7° | 109.5° |
| C13 | C2 | H29 | 111.2° | 109.5° |
| N2 | C13 | H12 | 107.7° | 109.4° |
| N2 | C13 | H13 | 107.7° | 109.5° |
| C13 | N2 | H37 | 116.8° | 120.0° |
| C2 | C7 | C9 | 111.1° | 109.4° |
| C7 | C2 | H29 | 111.0° | 109.5° |
| C2 | C7 | H35 | 109.0° | 109.5° |
| C2 | C7 | H36 | 109.1° | 109.5° |
| C19 | N1 | C12 | 111.0° | 120.6° |
| N1 | C19 | O1 | 119.9° | 120.0° |
| N1 | C12 | C6 | 127.1° | 108.7° |
| N1 | C12 | H27 | 104.9° | 109.6° |
| N1 | C12 | H28 | 104.9° | 109.7° |
| C23 | C18 | C10 | 124.2° | 119.9° |
| C18 | C23 | C25 | 119.6° | 120.1° |
| C23 | C18 | H18 | 117.9° | 120.0° |
| C18 | C23 | H20 | 120.2° | 119.9° |
| C18 | C10 | C1 | 133.8° | 133.3° |
| C18 | C10 | C16 | 113.8° | 120.5° |
| C10 | C18 | H18 | 117.9° | 120.0° |
| C10 | C1 | C14 | 98.7° | 105.7° |
| C10 | C1 | C6 | 110.7° | 110.2° |
| C1 | C10 | C16 | 112.2° | 106.2° |
| C14 | C1 | C6 | 111.4° | 110.2° |
| C1 | C14 | C17 | 116.5° | 108.2° |
| C1 | C14 | H14 | 121.7° | 125.9° |
| C1 | C6 | C12 | 112.1° | 109.4° |
| C1 | C6 | H6 | 108.8° | 109.5° |
| C1 | C6 | H7 | 108.8° | 109.5° |
| C23 | C25 | C21 | 119.4° | 120.3° |
| C25 | C23 | H20 | 120.2° | 119.9° |
| C23 | C25 | H23 | 120.3° | 119.8° |
| C10 | C16 | C21 | 126.0° | 119.2° |
| C10 | C16 | C17 | 107.7° | 108.9° |
| C7 | C9 | H10 | 109.5° | 109.5° |
| C7 | C9 | H11 | 109.5° | 109.4° |
| C9 | C7 | H35 | 109.1° | 109.5° |
| C9 | C7 | H36 | 109.1° | 109.5° |
| C25 | C21 | C16 | 116.9° | 119.9° |
| C21 | C25 | H23 | 120.3° | 119.8° |
| C25 | C21 | H30 | 121.6° | 120.0° |
| C14 | C17 | C16 | 104.8° | 111.1° |
| C17 | C14 | H14 | 121.7° | 125.9° |
| C14 | C17 | H17 | 127.6° | 124.5° |
| C21 | C16 | C17 | 126.3° | 131.9° |
| C16 | C21 | H30 | 121.6° | 120.0° |
| C16 | C17 | H17 | 127.6° | 124.5° |
| C12 | C6 | H6 | 108.8° | 109.4° |
| C12 | C6 | H7 | 108.8° | 109.5° |
| C6 | C12 | H27 | 104.9° | 109.6° |
| C6 | C12 | H28 | 104.9° | 109.6° |
| H2 | C4 | H3 | 109.5° | 109.5° |
| H4 | C5 | H5 | 109.5° | 109.5° |
| H6 | C6 | H7 | 109.5° | 109.5° |
| H8 | C8 | H9 | 109.5° | 109.4° |
| H10 | C9 | H11 | 109.4° | 109.5° |
| H12 | C13 | H13 | 109.4° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
| H21 | C24 | H22 | 109.5° | 109.5° |
| H25 | C11 | H26 | 109.5° | 109.7° |
| H27 | C12 | H28 | 109.5° | 109.6° |
| H35 | C7 | H36 | 109.5° | 109.5° |
| H39 | N4 | H40 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C30 | H33 | 180.0° | 180.0° |
| C32 | C33 | C31 | H34 | 180.0° | 180.0° |
| C33 | C32 | C30 | C27 | 0.4° | 0.0° |
| C32 | C33 | C31 | C29 | 0.7° | 0.0° |
| C33 | C32 | C30 | H31 | 179.6° | 180.0° |
| C32 | C33 | C31 | H32 | 179.3° | 180.0° |
| C30 | C32 | C33 | C31 | 0.1° | 0.0° |
| C32 | C30 | C27 | H31 | 180.0° | 180.0° |
| C32 | C30 | C27 | C29 | 0.3° | 0.0° |
| C32 | C30 | C27 | C26 | 178.8° | 180.0° |
| C30 | C32 | C33 | H34 | 179.9° | 180.0° |
| C33 | C31 | C29 | H32 | 180.0° | 179.9° |
| C33 | C31 | C29 | C27 | 0.8° | 0.1° |
| C33 | C31 | C29 | N5 | 179.9° | 179.8° |
| C31 | C33 | C32 | H33 | 179.9° | 180.0° |
| N4 | C15 | C3 | H15 | 120.9° | 120.0° |
| N4 | C15 | C3 | H16 | 120.8° | 120.0° |
| N4 | C15 | C3 | C4 | 135.4° | 175.0° |
| N4 | C15 | C3 | C8 | 18.7° | 65.0° |
| N4 | C15 | C3 | H1 | 103.3° | 55.0° |
| N4 | C15 | H15 | H16 | 117.4° | 120.0° |
| C15 | N4 | H39 | H40 | 120.0° | 124.0° |
| C30 | C27 | C29 | C31 | 0.3° | 0.1° |
| C30 | C27 | C29 | C26 | 179.3° | 180.0° |
| C30 | C27 | C29 | N5 | 179.6° | 179.8° |
| C30 | C27 | C26 | C24 | 2.3° | 0.0° |
| C30 | C27 | C26 | C28 | 178.8° | 179.7° |
| C27 | C30 | C32 | H33 | 179.6° | 180.0° |
| C15 | C3 | C4 | C8 | 117.9° | 120.0° |
| C15 | C3 | C4 | H1 | 120.9° | 120.0° |
| C15 | C3 | C8 | H1 | 121.4° | 119.9° |
| C15 | C3 | C4 | C2 | 177.1° | 180.0° |
| C15 | C3 | C8 | C9 | 172.9° | 180.0° |
| C15 | C3 | C4 | H2 | 55.8° | 60.0° |
| C15 | C3 | C4 | H3 | 61.7° | 60.0° |
| C15 | C3 | C8 | H8 | 67.0° | 59.9° |
| C15 | C3 | C8 | H9 | 52.7° | 60.0° |
| C3 | C15 | H15 | H16 | 117.4° | 120.0° |
| C3 | C15 | N4 | H39 | 180.0° | 56.0° |
| C3 | C15 | N4 | H40 | 60.0° | 180.0° |
| C31 | C29 | C27 | N5 | 179.3° | 179.9° |
| C31 | C29 | C27 | C26 | 179.6° | 180.0° |
| C31 | C29 | N5 | C28 | 178.9° | 179.9° |
| C29 | C31 | C33 | H34 | 179.3° | 180.0° |
| C31 | C29 | N5 | H42 | 1.1° | 0.1° |
| C29 | C27 | C26 | C24 | 178.5° | 180.0° |
| C29 | C27 | C26 | C28 | 2.0° | 0.2° |
| C27 | C29 | N5 | C28 | 0.2° | 0.0° |
| C29 | C27 | C30 | H31 | 179.8° | 180.0° |
| C27 | C29 | C31 | H32 | 179.2° | 180.0° |
| C27 | C29 | N5 | H42 | 179.8° | 180.0° |
| C26 | C27 | C29 | N5 | 1.1° | 0.1° |
| C27 | C26 | C24 | C28 | 175.5° | 179.7° |
| C27 | C26 | C24 | C20 | 148.1° | 85.3° |
| C27 | C26 | C28 | N5 | 2.2° | 0.2° |
| C27 | C26 | C24 | H21 | 92.5° | 34.7° |
| C27 | C26 | C24 | H22 | 28.6° | 154.8° |
| C27 | C26 | C28 | H24 | 177.8° | 179.7° |
| C26 | C27 | C30 | H31 | 1.1° | 0.0° |
| C29 | N5 | C28 | C26 | 1.5° | 0.2° |
| C29 | N5 | C28 | H42 | 180.0° | 180.0° |
| C29 | N5 | C28 | H24 | 178.5° | 179.7° |
| N5 | C29 | C31 | H32 | 0.1° | 0.1° |
| O2 | C22 | C20 | C24 | 26.0° | 120.0° |
| O2 | C22 | C20 | N2 | 173.0° | 179.9° |
| O2 | C22 | C20 | N3 | 87.5° | 0.0° |
| O2 | C22 | N2 | C13 | 4.3° | 0.1° |
| O2 | C22 | C20 | H19 | 153.8° | 120.1° |
| O2 | C22 | N2 | H37 | 175.7° | 180.0° |
| C4 | C3 | C8 | H1 | 121.1° | 120.0° |
| C3 | C4 | C2 | H2 | 121.3° | 120.0° |
| C3 | C4 | C2 | H3 | 121.2° | 120.0° |
| C4 | C3 | C8 | C9 | 55.4° | 60.0° |
| C3 | C4 | C2 | C13 | 176.7° | 180.0° |
| C3 | C4 | C2 | C7 | 58.7° | 60.0° |
| C3 | C4 | H2 | H3 | 116.0° | 120.0° |
| C4 | C3 | C8 | H8 | 175.5° | 180.0° |
| C4 | C3 | C8 | H9 | 64.8° | 60.0° |
| C4 | C3 | C15 | H15 | 14.5° | 55.0° |
| C4 | C3 | C15 | H16 | 103.8° | 65.0° |
| C3 | C4 | C2 | H29 | 61.3° | 60.0° |
| C8 | C3 | C4 | C2 | 59.2° | 60.0° |
| C3 | C8 | C9 | H8 | 120.1° | 120.1° |
| C3 | C8 | C9 | H9 | 120.2° | 120.0° |
| C3 | C8 | C9 | C7 | 59.3° | 60.0° |
| C8 | C3 | C4 | H2 | 62.0° | 60.0° |
| C8 | C3 | C4 | H3 | 179.5° | 180.0° |
| C3 | C8 | H8 | H9 | 119.5° | 120.0° |
| C3 | C8 | C9 | H10 | 60.7° | 60.0° |
| C3 | C8 | C9 | H11 | 179.3° | 180.0° |
| C8 | C3 | C15 | H15 | 102.1° | 175.0° |
| C8 | C3 | C15 | H16 | 139.5° | 55.0° |
| C4 | C2 | C13 | C7 | 113.5° | 120.0° |
| C4 | C2 | C13 | H29 | 122.3° | 120.0° |
| C4 | C2 | C13 | N2 | 110.2° | 175.0° |
| C4 | C2 | C7 | H29 | 120.3° | 120.0° |
| C4 | C2 | C7 | C9 | 56.8° | 60.0° |
| C2 | C4 | C3 | H1 | 62.0° | 60.0° |
| C2 | C4 | H2 | H3 | 116.0° | 120.0° |
| C4 | C2 | C13 | H12 | 10.9° | 65.0° |
| C4 | C2 | C13 | H13 | 128.8° | 55.0° |
| C4 | C2 | C7 | H35 | 63.4° | 180.0° |
| C4 | C2 | C7 | H36 | 177.1° | 60.0° |
| C5 | C11 | N1 | H25 | 121.7° | 119.8° |
| C5 | C11 | N1 | H26 | 121.7° | 119.8° |
| C11 | C5 | C1 | H4 | 120.4° | 120.0° |
| C11 | C5 | C1 | H5 | 120.4° | 120.0° |
| C5 | C11 | N1 | C19 | 177.9° | 125.9° |
| C5 | C11 | N1 | C12 | 3.0° | 54.0° |
| C11 | C5 | C1 | C10 | 174.0° | 177.7° |
| C11 | C5 | C1 | C14 | 75.7° | 61.4° |
| C11 | C5 | C1 | C6 | 49.8° | 60.5° |
| C11 | C5 | H4 | H5 | 118.7° | 120.0° |
| C5 | C11 | H25 | H26 | 114.7° | 120.4° |
| N1 | C11 | C5 | C1 | 24.0° | 54.1° |
| C11 | N1 | C19 | N3 | 0.5° | 174.8° |
| C11 | N1 | C19 | C12 | 179.1° | 179.9° |
| C11 | N1 | C19 | O1 | 179.7° | 5.2° |
| C11 | N1 | C12 | C6 | 2.7° | 54.0° |
| N1 | C11 | C5 | H4 | 144.5° | 65.9° |
| N1 | C11 | C5 | H5 | 96.4° | 174.1° |
| N1 | C11 | H25 | H26 | 114.6° | 120.3° |
| C11 | N1 | C12 | H27 | 119.6° | 65.8° |
| C11 | N1 | C12 | H28 | 125.0° | 173.8° |
| C5 | C1 | C10 | C18 | 58.8° | 60.9° |
| C5 | C1 | C10 | C14 | 118.9° | 119.0° |
| C5 | C1 | C10 | C6 | 124.2° | 122.0° |
| C5 | C1 | C14 | C6 | 125.1° | 122.0° |
| C5 | C1 | C10 | C16 | 117.4° | 119.0° |
| C5 | C1 | C14 | C17 | 117.0° | 119.0° |
| C5 | C1 | C6 | C12 | 50.1° | 60.5° |
| C1 | C5 | H4 | H5 | 118.7° | 120.1° |
| C5 | C1 | C6 | H6 | 170.5° | 179.6° |
| C5 | C1 | C6 | H7 | 70.3° | 59.5° |
| C5 | C1 | C14 | H14 | 63.0° | 61.0° |
| C1 | C5 | C11 | H25 | 145.7° | 173.9° |
| C1 | C5 | C11 | H26 | 97.6° | 65.7° |
| C26 | C24 | C20 | H21 | 119.5° | 120.0° |
| C26 | C24 | C20 | H22 | 119.5° | 120.0° |
| C26 | C24 | C20 | C22 | 55.3° | 175.0° |
| C24 | C26 | C28 | N5 | 178.3° | 180.0° |
| C26 | C24 | C20 | N3 | 148.3° | 65.0° |
| C26 | C24 | C20 | H19 | 71.5° | 55.1° |
| C26 | C24 | H21 | H22 | 121.5° | 120.0° |
| C24 | C26 | C28 | H24 | 1.7° | 0.1° |
| C28 | C26 | C24 | C20 | 27.5° | 95.0° |
| C26 | C28 | N5 | H24 | 180.0° | 179.9° |
| C28 | C26 | C24 | H21 | 92.0° | 145.0° |
| C28 | C26 | C24 | H22 | 147.0° | 25.0° |
| C26 | C28 | N5 | H42 | 178.4° | 179.8° |
| C24 | C20 | C22 | N3 | 113.5° | 120.0° |
| C24 | C20 | C22 | H19 | 127.8° | 119.9° |
| C24 | C20 | C22 | N2 | 161.0° | 59.9° |
| C24 | C20 | N3 | H19 | 139.2° | 120.0° |
| C24 | C20 | N3 | C19 | 160.2° | 85.0° |
| C20 | C24 | H21 | H22 | 121.6° | 120.0° |
| C24 | C20 | N3 | H38 | 19.7° | 94.9° |
| C8 | C9 | C7 | C2 | 60.7° | 60.0° |
| C8 | C9 | C7 | H10 | 120.0° | 120.0° |
| C8 | C9 | C7 | H11 | 120.0° | 120.0° |
| C9 | C8 | C3 | H1 | 65.7° | 60.1° |
| C9 | C8 | H8 | H9 | 119.5° | 120.0° |
| C8 | C9 | H10 | H11 | 120.0° | 120.0° |
| C8 | C9 | C7 | H35 | 59.5° | 180.0° |
| C8 | C9 | C7 | H36 | 179.1° | 60.0° |
| C22 | C20 | N3 | H19 | 114.7° | 120.0° |
| C22 | C20 | N3 | C19 | 93.7° | 155.0° |
| C20 | C22 | N2 | C13 | 177.6° | 180.0° |
| C22 | C20 | C24 | H21 | 174.8° | 55.0° |
| C22 | C20 | C24 | H22 | 64.1° | 65.0° |
| C20 | C22 | N2 | H37 | 2.4° | 0.0° |
| C22 | C20 | N3 | H38 | 86.4° | 25.0° |
| N2 | C22 | C20 | N3 | 85.5° | 179.9° |
| C22 | N2 | C13 | C2 | 89.4° | 180.0° |
| C22 | N2 | C13 | H37 | 180.0° | 180.0° |
| C22 | N2 | C13 | H12 | 31.7° | 60.0° |
| C22 | N2 | C13 | H13 | 149.6° | 59.9° |
| N2 | C22 | C20 | H19 | 33.2° | 60.0° |
| C20 | N3 | C19 | H38 | 180.0° | 180.0° |
| C20 | N3 | C19 | N1 | 174.7° | 175.7° |
| C20 | N3 | C19 | O1 | 6.1° | 4.4° |
| N3 | C20 | C24 | H21 | 92.3° | 175.0° |
| N3 | C20 | C24 | H22 | 28.8° | 55.0° |
| N3 | C19 | N1 | O1 | 179.2° | 180.0° |
| N3 | C19 | N1 | C12 | 179.6° | 5.3° |
| C19 | N3 | C20 | H19 | 21.1° | 35.0° |
| C2 | C13 | N2 | H12 | 121.0° | 120.0° |
| C2 | C13 | N2 | H13 | 121.0° | 120.0° |
| C13 | C2 | C7 | H29 | 124.3° | 120.0° |
| C13 | C2 | C7 | C9 | 172.2° | 180.0° |
| C13 | C2 | C4 | H2 | 55.5° | 60.0° |
| C13 | C2 | C4 | H3 | 62.0° | 60.0° |
| C2 | C13 | H12 | H13 | 116.7° | 120.0° |
| C13 | C2 | C7 | H35 | 52.0° | 60.0° |
| C13 | C2 | C7 | H36 | 67.5° | 60.0° |
| C2 | C13 | N2 | H37 | 90.6° | 0.0° |
| N2 | C13 | C2 | C7 | 3.4° | 65.0° |
| N2 | C13 | H12 | H13 | 116.8° | 119.9° |
| N2 | C13 | C2 | H29 | 127.6° | 55.0° |
| C2 | C7 | C9 | H35 | 120.2° | 120.0° |
| C2 | C7 | C9 | H36 | 120.2° | 120.0° |
| C7 | C2 | C4 | H2 | 62.5° | 60.0° |
| C7 | C2 | C4 | H3 | 180.0° | 180.0° |
| C2 | C7 | C9 | H10 | 59.3° | 60.0° |
| C2 | C7 | C9 | H11 | 179.3° | 180.0° |
| C7 | C2 | C13 | H12 | 124.5° | 55.0° |
| C7 | C2 | C13 | H13 | 117.7° | 175.0° |
| C2 | C7 | H35 | H36 | 119.3° | 120.0° |
| C19 | N1 | C12 | C6 | 178.0° | 126.0° |
| C19 | N1 | C11 | H25 | 60.4° | 6.2° |
| C19 | N1 | C11 | H26 | 56.3° | 114.2° |
| C19 | N1 | C12 | H27 | 59.7° | 114.3° |
| C19 | N1 | C12 | H28 | 55.7° | 6.1° |
| N1 | C19 | N3 | H38 | 5.4° | 4.4° |
| N1 | C12 | C6 | C1 | 24.5° | 54.1° |
| C12 | N1 | C19 | O1 | 1.2° | 174.7° |
| N1 | C12 | C6 | H27 | 122.3° | 119.8° |
| N1 | C12 | C6 | H28 | 122.3° | 119.9° |
| N1 | C12 | C6 | H6 | 144.9° | 174.1° |
| N1 | C12 | C6 | H7 | 95.9° | 65.9° |
| C12 | N1 | C11 | H25 | 118.7° | 173.8° |
| C12 | N1 | C11 | H26 | 124.6° | 65.9° |
| N1 | C12 | H27 | H28 | 112.1° | 120.5° |
| C23 | C18 | C10 | H18 | 180.0° | 179.9° |
| C23 | C18 | C10 | C1 | 178.3° | 180.0° |
| C18 | C23 | C25 | H20 | 180.0° | 180.0° |
| C23 | C18 | C10 | C16 | 2.1° | 0.1° |
| C18 | C23 | C25 | C21 | 1.9° | 0.1° |
| C18 | C23 | C25 | H23 | 178.1° | 179.9° |
| C18 | C10 | C1 | C16 | 176.2° | 180.0° |
| C18 | C10 | C1 | C14 | 177.7° | 179.9° |
| C18 | C10 | C1 | C6 | 65.4° | 61.1° |
| C10 | C18 | C23 | C25 | 2.6° | 0.1° |
| C18 | C10 | C16 | C21 | 1.1° | 0.1° |
| C18 | C10 | C16 | C17 | 178.0° | 179.9° |
| C10 | C18 | C23 | H20 | 177.4° | 179.9° |
| C10 | C1 | C14 | C6 | 116.3° | 119.0° |
| C10 | C1 | C14 | C17 | 1.6° | 0.1° |
| C1 | C10 | C16 | C21 | 178.1° | 180.0° |
| C1 | C10 | C16 | C17 | 1.0° | 0.0° |
| C10 | C1 | C6 | C12 | 175.2° | 177.7° |
| C10 | C1 | C5 | H4 | 65.5° | 62.4° |
| C10 | C1 | C5 | H5 | 53.6° | 57.7° |
| C10 | C1 | C6 | H6 | 64.4° | 57.7° |
| C10 | C1 | C6 | H7 | 54.8° | 62.3° |
| C10 | C1 | C14 | H14 | 178.4° | 180.0° |
| C1 | C10 | C18 | H18 | 1.7° | 0.0° |
| C14 | C1 | C10 | C16 | 1.5° | 0.1° |
| C1 | C14 | C17 | H14 | 180.0° | 179.9° |
| C1 | C14 | C17 | C16 | 1.1° | 0.0° |
| C14 | C1 | C6 | C12 | 76.0° | 61.4° |
| C14 | C1 | C5 | H4 | 44.8° | 178.6° |
| C14 | C1 | C5 | H5 | 163.9° | 58.6° |
| C14 | C1 | C6 | H6 | 44.3° | 58.5° |
| C14 | C1 | C6 | H7 | 163.5° | 178.6° |
| C1 | C14 | C17 | H17 | 178.9° | 180.0° |
| C6 | C1 | C10 | C16 | 118.4° | 119.0° |
| C6 | C1 | C14 | C17 | 117.9° | 119.0° |
| C1 | C6 | C12 | H6 | 120.4° | 120.0° |
| C1 | C6 | C12 | H7 | 120.4° | 120.0° |
| C6 | C1 | C5 | H4 | 170.2° | 59.5° |
| C6 | C1 | C5 | H5 | 70.6° | 179.5° |
| C1 | C6 | H6 | H7 | 118.8° | 120.1° |
| C6 | C1 | C14 | H14 | 62.1° | 61.0° |
| C1 | C6 | C12 | H27 | 146.9° | 65.6° |
| C1 | C6 | C12 | H28 | 97.8° | 174.1° |
| C23 | C25 | C21 | H23 | 180.0° | 180.0° |
| C23 | C25 | C21 | C16 | 1.0° | 0.1° |
| C25 | C23 | C18 | H18 | 177.4° | 180.0° |
| C23 | C25 | C21 | H30 | 179.0° | 180.0° |
| C10 | C16 | C21 | C25 | 0.6° | 0.1° |
| C10 | C16 | C17 | C14 | 0.1° | 0.0° |
| C10 | C16 | C21 | C17 | 178.9° | 180.0° |
| C10 | C16 | C17 | H17 | 179.9° | 180.0° |
| C16 | C10 | C18 | H18 | 177.9° | 180.0° |
| C10 | C16 | C21 | H30 | 179.4° | 180.0° |
| O1 | C19 | N3 | H38 | 173.9° | 175.6° |
| C7 | C9 | C8 | H8 | 179.5° | 180.0° |
| C7 | C9 | C8 | H9 | 60.8° | 60.0° |
| C7 | C9 | H10 | H11 | 120.0° | 120.0° |
| C9 | C7 | C2 | H29 | 63.5° | 60.0° |
| C9 | C7 | H35 | H36 | 119.3° | 120.0° |
| C25 | C21 | C16 | H30 | 180.0° | 180.0° |
| C25 | C21 | C16 | C17 | 178.3° | 180.0° |
| C21 | C25 | C23 | H20 | 178.1° | 180.0° |
| C14 | C17 | C16 | C21 | 179.2° | 180.0° |
| C14 | C17 | C16 | H17 | 180.0° | 180.0° |
| C21 | C16 | C17 | H17 | 0.8° | 0.0° |
| C16 | C21 | C25 | H23 | 179.0° | 180.0° |
| C16 | C17 | C14 | H14 | 178.9° | 180.0° |
| C17 | C16 | C21 | H30 | 1.7° | 0.0° |
| C12 | C6 | H6 | H7 | 118.8° | 120.0° |
| C6 | C12 | H27 | H28 | 112.1° | 120.3° |
| H1 | C3 | C4 | H2 | 176.7° | 180.0° |
| H1 | C3 | C4 | H3 | 59.2° | 60.0° |
| H1 | C3 | C8 | H8 | 54.4° | 60.0° |
| H1 | C3 | C8 | H9 | 174.1° | 179.9° |
| H1 | C3 | C15 | H15 | 135.9° | 65.0° |
| H1 | C3 | C15 | H16 | 17.5° | 175.0° |
| H2 | C4 | C2 | H29 | 177.5° | NaN° |
| H3 | C4 | C2 | H29 | 60.0° | 60.0° |
| H4 | C5 | C11 | H25 | 93.9° | 53.9° |
| H4 | C5 | C11 | H26 | 22.8° | 174.4° |
| H5 | C5 | C11 | H25 | 25.3° | 66.1° |
| H5 | C5 | C11 | H26 | 142.0° | 54.3° |
| H6 | C6 | C12 | H27 | 92.7° | 54.3° |
| H6 | C6 | C12 | H28 | 22.6° | 65.9° |
| H7 | C6 | C12 | H27 | 26.5° | 174.3° |
| H7 | C6 | C12 | H28 | 141.8° | 54.1° |
| H8 | C8 | C9 | H10 | 59.5° | 60.0° |
| H8 | C8 | C9 | H11 | 60.5° | 60.0° |
| H9 | C8 | C9 | H10 | 179.2° | 180.0° |
| H9 | C8 | C9 | H11 | 59.2° | 60.0° |
| H10 | C9 | C7 | H35 | 179.5° | 60.0° |
| H10 | C9 | C7 | H36 | 60.9° | 180.0° |
| H11 | C9 | C7 | H35 | 60.5° | 60.0° |
| H11 | C9 | C7 | H36 | 59.0° | 60.0° |
| H12 | C13 | C2 | H29 | 111.3° | 175.0° |
| H12 | C13 | N2 | H37 | 148.3° | 120.0° |
| H13 | C13 | C2 | H29 | 6.5° | 65.0° |
| H13 | C13 | N2 | H37 | 30.4° | 120.0° |
| H14 | C14 | C17 | H17 | 1.1° | 0.0° |
| H15 | C15 | N4 | H39 | 59.2° | 64.0° |
| H15 | C15 | N4 | H40 | 60.8° | 60.0° |
| H16 | C15 | N4 | H39 | 59.2° | 176.0° |
| H16 | C15 | N4 | H40 | 179.2° | 60.0° |
| H18 | C18 | C23 | H20 | 2.6° | 0.0° |
| H19 | C20 | C24 | H21 | 48.0° | 64.9° |
| H19 | C20 | C24 | H22 | 169.0° | 175.0° |
| H19 | C20 | N3 | H38 | 158.9° | 145.0° |
| H20 | C23 | C25 | H23 | 1.9° | 0.0° |
| H23 | C25 | C21 | H30 | 1.0° | 0.0° |
| H24 | C28 | N5 | H42 | 1.5° | 0.2° |
| H29 | C2 | C7 | H35 | 176.3° | 60.0° |
| H29 | C2 | C7 | H36 | 56.7° | NaN° |
| H31 | C30 | C32 | H33 | 0.4° | 0.0° |
| H32 | C31 | C33 | H34 | 0.7° | 0.0° |
| H33 | C32 | C33 | H34 | 0.1° | 0.0° |
